N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine

C12H19NO — CID 43220287

IUPACN-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(C)c(C)c1
InChIInChI=1S/C12H19NO/c1-10-4-5-12(8-11(10)2)9-13-6-7-14-3/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyQNKMMGIFXWOGAS-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.04
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine

N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine (PubChem CID 43220287) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine
PubChem CID43220287
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(C)c(C)c1
InChIInChI=1S/C12H19NO/c1-10-4-5-12(8-11(10)2)9-13-6-7-14-3/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyQNKMMGIFXWOGAS-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine (CID 43220287) is N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine is COCCNCc1ccc(C)c(C)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine?
The InChIKey is QNKMMGIFXWOGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-4-5-12(8-11(10)2)9-13-6-7-14-3/h4-5,8,13H,6-7,9H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine?
N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 43220287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).